Geometry & MOs

Info

ID:	415409
PubChem CID:	135088403
Reduced:	N5O7C32H37 (1)
Stoich.:	A5B7C32D37 (1)
Weight, g/mol:	314.199428
ΔH_f, kcal/mol:	-187.51
Dipole, Da:	10.31
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-[1-(4-methylphenyl)cyclopropyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)N3CCOC4=C(C=CC(=C4)C5=NC=CN5CCNC(=O)[C@H](NC(=O)C3)C(C)C)OC

DOS

IR

Vibrations